4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline

C29H28N2 — CID 6158768

IUPAC4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=C/c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C29H28N2/c1-3-31(4-2)27-19-17-23(18-20-27)15-16-24-21-28(25-11-7-5-8-12-25)30-29(22-24)26-13-9-6-10-14-26/h5-22H,3-4H2,1-2H3/b16-15+
InChIKeyUVEIBRMWSYNMMX-FOCLMDBBSA-N
MW404.56 g/mol
LogP7.43
Rot. Bonds7

About 4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline

4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline (PubChem CID 6158768) has the molecular formula C29H28N2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline
PubChem CID6158768
Molecular FormulaC29H28N2
Molecular Weight404.56 g/mol
Exact Mass404.23
IUPAC Name4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=C/c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C29H28N2/c1-3-31(4-2)27-19-17-23(18-20-27)15-16-24-21-28(25-11-7-5-8-12-25)30-29(22-24)26-13-9-6-10-14-26/h5-22H,3-4H2,1-2H3/b16-15+
InChIKeyUVEIBRMWSYNMMX-FOCLMDBBSA-N
XLogP7.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline (CID 6158768) is 4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline is CCN(CC)c1ccc(/C=C/c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline?
The InChIKey is UVEIBRMWSYNMMX-FOCLMDBBSA-N. The full InChI is InChI=1S/C29H28N2/c1-3-31(4-2)27-19-17-23(18-20-27)15-16-24-21-28(25-11-7-5-8-12-25)30-29(22-24)26-13-9-6-10-14-26/h5-22H,3-4H2,1-2H3/b16-15+.
What are the key properties of 4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline?
4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline has a molecular weight of 404.56 g/mol, XLogP of 7.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,6-diphenyl-4-pyridinyl)ethenyl]-N,N-diethylaniline is sourced from PubChem (CID 6158768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).